SCHEMBL31125285

SCHEMBL31125285

Cc1ncc(NC(=O)O)cc1C#CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
OGA O60502 9/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA2 Q15822 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
IKBKB O14920 1/20 0.33
CLK2 P49760 1/20 0.33
PGK1 P00558 1/20 0.33
PTPN11 Q06124 1/20 0.32
ABL1 P00519 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30966825 0.73 PTPN11 (0.43) SCN10ACHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL28723850 0.70 PRMT5 (0.46) PRMT5WDR77
SCHEMBL30966843 0.70 CHRNB2 (0.38) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL16164683 0.67 KCNQ3 (0.41) ABL1
SCHEMBL4253983 0.67 EGLN1 (0.36) EGLN1OGAPGK1
SCHEMBL28941027 0.65 KDM4E (0.40)
SCHEMBL31513363 0.65 EGFR (0.38)
SCHEMBL15730262 0.63 CYP1A2 (0.47) OGACHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL19814239 0.63 GAA (0.49) ABL1
SCHEMBL15923164 0.63 FFAR1 (0.35) EGLN1SCN10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852145-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-10-29 CN disclosed